N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide

C26H31N3O3 — CID 15067957

IUPACN-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C(C)CN(CCN2C(=O)c3ccccc3C2=O)CC1C
InChIInChI=1S/C26H31N3O3/c1-4-23(30)29(20-10-6-5-7-11-20)24-18(2)16-27(17-19(24)3)14-15-28-25(31)21-12-8-9-13-22(21)26(28)32/h5-13,18-19,24H,4,14-17H2,1-3H3
InChIKeyZSGPFODBRBDQCM-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.68
Rot. Bonds6

About N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide (PubChem CID 15067957) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide
PubChem CID15067957
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C(C)CN(CCN2C(=O)c3ccccc3C2=O)CC1C
InChIInChI=1S/C26H31N3O3/c1-4-23(30)29(20-10-6-5-7-11-20)24-18(2)16-27(17-19(24)3)14-15-28-25(31)21-12-8-9-13-22(21)26(28)32/h5-13,18-19,24H,4,14-17H2,1-3H3
InChIKeyZSGPFODBRBDQCM-UHFFFAOYSA-N
XLogP3.68
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 15067958
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide (CID 15067957) is N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1C(C)CN(CCN2C(=O)c3ccccc3C2=O)CC1C.
What is the InChIKey of N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide?
The InChIKey is ZSGPFODBRBDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-4-23(30)29(20-10-6-5-7-11-20)24-18(2)16-27(17-19(24)3)14-15-28-25(31)21-12-8-9-13-22(21)26(28)32/h5-13,18-19,24H,4,14-17H2,1-3H3.
What are the key properties of N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide has a molecular weight of 433.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 15067957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).